Lot numbers can be found on the outside label of a product:
2-(4-Bromo-2-methylphenyl)acetonitrile
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CAS No. 215800-05-8
- Cat. No. CS-0103703
- Purity≥98%
- MDL No.MFCD14582920
*For research and further manufacturing use only, not for direct human use.
Structure of 215800-05-8
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General Information
- CAS No. 215800-05-8
- Cat. No. CS-0103703
- Purity ≥98%
- MDL No. MFCD14582920
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈BrN
- Molecular Weight 210.07
- Synonym(s) 4-broMo-2-Methylphenylacetonitrile
- SMILES N#CCC1=CC=C(Br)C=C1C
Description
2-(4-Bromo-2-methylphenyl)acetonitrile features a brominated aryl moiety paired with a nitrile-bearing side chain, enabling direct incorporation into Suzuki and Sonogashira coupling reactions. The para-bromo substituent provides a reactive handle for C–C bond formation, while the methyl group enhances electron density at the aromatic ring. This structure supports efficient derivatization in pharmaceutical intermediates and functional materials synthesis under standard conditions.
Application
2-(4-Bromo-2-methylphenyl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its aryl bromide and nitrile functionalities. The methyl group provides steric and electronic modulation, while the acetonitrile moiety offers synthetic handle for further functionalization. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of complex heterocyclic scaffolds and API intermediates.
Synthesis
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Route1
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143-33-9 -
In-stock
156001-49-9 - ~93%
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In-stock
215800-05-8
References
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ASTRAZENECA AB Patent: WO2008/18827 A1, 2008 ; Location in patent: Page/Page column 61-62 ; WO 2008/018827 A1
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Route2
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773837-37-9
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24078-15-7 - ~99%
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In-stock
215800-05-8
References
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PFIZER INC.; BROWN, Matthew Frank; MARFAT, Anthony; MELNICK, Michael Joseph; REILLY, Usa Patent: WO2011/45703 A2, 2011 ; Location in patent: Page/Page column 40 ; WO 2011/045703 A2
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Route3
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151-50-8
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In-stock
156001-49-9
- ~%
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In-stock
215800-05-8
References
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SANKYO COMPANY, LIMITED Patent: WO2006/109633 A1, 2006 ; Location in patent: Page/Page column 168-169 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 23.79
- LogP 2.8236
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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